Chemical Properties of Fumaric acid, 4-heptyl nonyl ester

Fumaric acid, 4-heptyl nonyl ester

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InChI
InChI=1S/C20H36O4/c1-4-7-8-9-10-11-12-17-23-19(21)15-16-20(22)24-18(13-5-2)14-6-3/h15-16,18H,4-14,17H2,1-3H3/b16-15+
InChI Key
BKSFAPILEUMUNB-FOCLMDBBSA-N
Formula
C20H36O4
SMILES
CCCCCCCCCOC(=O)C=CC(=O)OC(CCC)CCC
Molecular Weight1
340.50
Sources

Physical Properties

Property Value Unit Source
Δf -272.54 kJ/mol Joback Calculated Property
Δfgas -833.79 kJ/mol Joback Calculated Property
Δfus 49.81 kJ/mol Joback Calculated Property
Δvap 78.00 kJ/mol Joback Calculated Property
logPoct/wat 5.35 Crippen Calculated Property
Pc 1121.55 kPa Joback Calculated Property
Tboil 813.30 K Joback Calculated Property
Tc 1000.35 K Joback Calculated Property
Tfus 439.40 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 944.36 J/mol×K 813.3 Joback Calculated Property
η 0.00 Pa×s 813.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 12
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, hexadecyl 4-heptyl ester. Fumaric acid, 4-heptyl pentadecyl ester. Fumaric acid, 4-heptyl octyl ester. Fumaric acid, decyl 4-heptyl ester. Fumaric acid, 4-heptyl tridecyl ester. Fumaric acid, dodecyl 4-heptyl ester. Fumaric acid, 4-heptyl undecyl ester. Fumaric acid, 4-heptyl heptyl ester. Fumaric acid, eicosyl 3-hexyl ester. Fumaric acid, 3-hexyl octyl ester. Fumaric acid, 3-hexyl pentadecyl ester. Fumaric acid, 3-hexyl undecyl ester. Fumaric acid, 3-hexyl tridecyl ester. Fumaric acid, heptadecyl 3-hexyl ester. Fumaric acid, 3-hexyl nonyl ester.

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